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The Journal of Physical Chemistry. B
|
November 10, 2025
TorchANI-Amber: Bridging Neural Network Potentials and Classical Biomolecular Simulations
Ignacio Pickering, Jonathan A Semelak, Jinze Xue, et al.
Journal of Chemical Information and Modeling
|
October 17, 2025
TorchANI 2.0: An Extensible, High-Performance Library for the Design, Training, and Use of NN-IPs
Ignacio Pickering, Jinze Xue, Kate Huddleston, et al.
Journal of Chemical Theory and Computation
|
April 11, 2025
LEGOLAS: A Machine Learning Method for Rapid and Accurate Predictions of Protein NMR Chemical Shifts
Mikayla Y Darrows, Dimuthu Kodituwakku, Jinze Xue, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 3) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. B
|
November 10, 2025
TorchANI-Amber: Bridging Neural Network Potentials and Classical Biomolecular Simulations
Ignacio Pickering, Jonathan A Semelak, Jinze Xue, et al.
Journal of Chemical Information and Modeling
|
October 17, 2025
TorchANI 2.0: An Extensible, High-Performance Library for the Design, Training, and Use of NN-IPs
Ignacio Pickering, Jinze Xue, Kate Huddleston, et al.
Journal of Chemical Theory and Computation
|
April 11, 2025
LEGOLAS: A Machine Learning Method for Rapid and Accurate Predictions of Protein NMR Chemical Shifts
Mikayla Y Darrows, Dimuthu Kodituwakku, Jinze Xue, et al.
Page
of 1